HIT ID: HIT212655881
Cas No: 1906919-67-2
分子式: C22H20Cl2F2N6O3
分子量: 525.34
常用名: BAY-598
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 3.6635141
IUPAC: N-(1-{N-cyano-N'-[3-(difluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide
IUPAC: N-(1-{N-cyano-N'-[3-(difluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide
SMILES: CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(NC#N)=Nc1cccc(OC(F)F)c1)C(=O)CO |w:20.22,c:6|
SMILES: CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(NC#N)=Nc1cccc(OC(F)F)c1)C(=O)CO |w:20.22,c:6|
InChI key: OTTJIRVZJJGFTK-UHFFFAOYSA-N
